6-chloranyl-N-(6-chloranylhexyl)-N-methyl-hexan-1-amine; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: 6-chloranyl-N-(6-chloranylhexyl)-N-methyl-hexan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: 6-chloro-N-(6-chlorohexyl)-N-methyl-hexan-1-amine; 2,4,6-trinitrobenzenesulfonic acid CAS Name: 6-chloro-N-(6-chlorohexyl)-N-methyl-1-hexanamine; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: 6-chloro-N-(6-chlorohexyl)-N-methylhexan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: bis(6-chlorohexyl)-methyl-amine; 2,4,6-trinitrobesylic acid Formula: C19H30Cl2N4O9S MolecularWeight: 561.4339

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCCCl)CCCCCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCCCCCCl)CCCCCCCl.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H27Cl2N.C6H3N3O9S/c1-16(12-8-4-2-6-10-14)13-9-5-3-7-11-15;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h2-13H2,1H3;1-2H,(H,16,17,18)